3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine

C22H21NO3S2 — CID 45076736

IUPAC3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine
SMILESCOc1ccccc1C1SCCN1S(=O)(=O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C22H21NO3S2/c1-26-19-8-3-2-6-17(19)22-23(13-14-27-22)28(24,25)20-12-11-16-10-9-15-5-4-7-18(20)21(15)16/h2-8,11-12,22H,9-10,13-14H2,1H3
InChIKeyNEKYIWRGVDWISO-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.38
Rot. Bonds4

About 3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine

3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine (PubChem CID 45076736) has the molecular formula C22H21NO3S2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine
PubChem CID45076736
Molecular FormulaC22H21NO3S2
Molecular Weight411.55 g/mol
Exact Mass411.10
IUPAC Name3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine
SMILESCOc1ccccc1C1SCCN1S(=O)(=O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C22H21NO3S2/c1-26-19-8-3-2-6-17(19)22-23(13-14-27-22)28(24,25)20-12-11-16-10-9-15-5-4-7-18(20)21(15)16/h2-8,11-12,22H,9-10,13-14H2,1H3
InChIKeyNEKYIWRGVDWISO-UHFFFAOYSA-N
XLogP4.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyphenyl)-3-naphthalen-1-ylsulfonyl-1,3-thiazolidine
CID 3930922
3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine
CID 45076731
2-(4-chlorophenyl)-3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-1,3-thiazolidine
CID 45076728
3-(4-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine
CID 3144179
(2S)-2-(2-methoxyphenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 1362906
3-(4-iodophenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine
CID 3562992
2-(2-methoxyphenyl)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine
CID 3383864
3-(4-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine
CID 3302390
(2S)-2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1038354
2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 2876838
(2S)-2-(5,6-dihydro-4H-phenalen-1-yl)-3-methylsulfonyl-1,3-thiazolidine
CID 949906
(2S)-2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 1118464

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine?
The IUPAC name of 3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine (CID 45076736) is 3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine is COc1ccccc1C1SCCN1S(=O)(=O)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine?
The InChIKey is NEKYIWRGVDWISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3S2/c1-26-19-8-3-2-6-17(19)22-23(13-14-27-22)28(24,25)20-12-11-16-10-9-15-5-4-7-18(20)21(15)16/h2-8,11-12,22H,9-10,13-14H2,1H3.
What are the key properties of 3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine?
3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine has a molecular weight of 411.55 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 45076736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).